5OV8

Crystal structure of the human BRPF1 bromodomain in complex with BZ097

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-01
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.000040
Spacegroup name	P 1 21 1
Unit cell lengths	48.195, 56.538, 48.595
Unit cell angles	90.00, 102.41, 90.00

Refinement procedure

Resolution	47.459 - 1.800
R-factor	0.2007
Rwork	0.197
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lc2
RMSD bond length	0.006
RMSD bond angle	0.804
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.460	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.040	0.220
Number of reflections	23018	1295
<I/σ(I)>	18.7	4.3
Completeness [%]	97.1	93.1
Redundancy	3.9	3.9
CC(1/2)	0.998	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1 M Bis-Tris Propane pH9, 10% EG, 0.15M NaNO3, 25% PEG3350